USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot -19:sc= -0.42 USER MOD Set 1.2: A 108 SER OG : rot 179:sc= -0.147! USER MOD Single : A 18 THR OG1 : rot -170:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= 0.00262 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 76:sc= 0.974 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 41:sc= 0.338 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -86:sc= 1.56 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 47:sc= -0.384 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= -0.175 (180deg=-0.378) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 71:sc= 0.679 USER MOD Single : A 105 MET CE :methyl -109:sc= -0.163 (180deg=-3.35!) USER MOD Single : A 107 CYS SG : rot -105:sc= -0.845! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 0.495 -18.546 4.391 1.00 0.00 N ATOM 293 CA THR A 18 1.149 -17.240 4.378 1.00 0.00 C ATOM 294 C THR A 18 1.027 -16.578 5.743 1.00 0.00 C ATOM 295 O THR A 18 0.013 -16.719 6.424 1.00 0.00 O ATOM 296 CB THR A 18 0.499 -16.334 3.324 1.00 0.00 C ATOM 297 OG1 THR A 18 -0.604 -15.656 3.910 1.00 0.00 O ATOM 298 CG2 THR A 18 0.006 -17.169 2.135 1.00 0.00 C ATOM 0 HA THR A 18 2.202 -17.385 4.136 1.00 0.00 H new ATOM 0 HB THR A 18 1.237 -15.614 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.117 -15.201 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.453 -16.513 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.849 -17.692 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.729 -17.896 2.481 1.00 0.00 H new ATOM 306 N ARG A 19 2.077 -15.864 6.142 1.00 0.00 N ATOM 307 CA ARG A 19 2.094 -15.185 7.436 1.00 0.00 C ATOM 308 C ARG A 19 2.548 -13.742 7.274 1.00 0.00 C ATOM 309 O ARG A 19 3.375 -13.434 6.417 1.00 0.00 O ATOM 310 CB ARG A 19 3.050 -15.910 8.381 1.00 0.00 C ATOM 311 CG ARG A 19 2.493 -17.300 8.699 1.00 0.00 C ATOM 312 CD ARG A 19 3.452 -18.037 9.636 1.00 0.00 C ATOM 313 NE ARG A 19 2.950 -19.378 9.914 1.00 0.00 N ATOM 314 CZ ARG A 19 3.440 -20.104 10.913 1.00 0.00 C ATOM 315 NH1 ARG A 19 4.385 -19.617 11.669 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.978 -21.302 11.138 1.00 0.00 N ATOM 0 H ARG A 19 2.926 -15.741 5.590 1.00 0.00 H new ATOM 0 HA ARG A 19 1.085 -15.195 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.035 -15.997 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.175 -15.337 9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.511 -17.211 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.360 -17.868 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.441 -18.097 9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.562 -17.481 10.567 1.00 0.00 H new ATOM 0 HE ARG A 19 2.209 -19.766 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.747 -18.680 11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.762 -20.173 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.239 -21.683 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.355 -21.858 11.905 1.00 0.00 H new ATOM 330 N LYS A 20 1.992 -12.863 8.098 1.00 0.00 N ATOM 331 CA LYS A 20 2.346 -11.449 8.038 1.00 0.00 C ATOM 332 C LYS A 20 3.623 -11.186 8.827 1.00 0.00 C ATOM 333 O LYS A 20 3.833 -11.753 9.898 1.00 0.00 O ATOM 334 CB LYS A 20 1.209 -10.599 8.602 1.00 0.00 C ATOM 335 CG LYS A 20 -0.031 -10.724 7.713 1.00 0.00 C ATOM 336 CD LYS A 20 -1.167 -9.890 8.311 1.00 0.00 C ATOM 337 CE LYS A 20 -2.408 -10.006 7.423 1.00 0.00 C ATOM 338 NZ LYS A 20 -3.521 -9.207 8.013 1.00 0.00 N ATOM 0 H LYS A 20 1.301 -13.100 8.810 1.00 0.00 H new ATOM 0 HA LYS A 20 2.513 -11.179 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.973 -10.920 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.519 -9.556 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.195 -10.381 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.333 -11.768 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.395 -10.236 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.862 -8.847 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.183 -9.649 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.706 -11.051 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.220 -8.988 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.977 -9.754 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.143 -8.321 8.405 1.00 0.00 H new ATOM 352 N ILE A 21 4.479 -10.322 8.280 1.00 0.00 N ATOM 353 CA ILE A 21 5.751 -9.976 8.923 1.00 0.00 C ATOM 354 C ILE A 21 5.940 -8.467 8.967 1.00 0.00 C ATOM 355 O ILE A 21 5.514 -7.752 8.064 1.00 0.00 O ATOM 356 CB ILE A 21 6.909 -10.621 8.157 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.917 -10.131 6.700 1.00 0.00 C ATOM 358 CG2 ILE A 21 6.741 -12.140 8.190 1.00 0.00 C ATOM 359 CD1 ILE A 21 8.186 -10.634 6.004 1.00 0.00 C ATOM 0 H ILE A 21 4.316 -9.847 7.392 1.00 0.00 H new ATOM 0 HA ILE A 21 5.736 -10.352 9.946 1.00 0.00 H new ATOM 0 HB ILE A 21 7.854 -10.343 8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.033 -10.495 6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.879 -9.042 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.561 -12.609 7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.747 -12.484 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.794 -12.412 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.195 -10.288 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.063 -10.248 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.204 -11.724 6.022 1.00 0.00 H new ATOM 371 N LYS A 22 6.594 -7.988 10.022 1.00 0.00 N ATOM 372 CA LYS A 22 6.851 -6.556 10.177 1.00 0.00 C ATOM 373 C LYS A 22 8.326 -6.271 9.926 1.00 0.00 C ATOM 374 O LYS A 22 9.142 -6.298 10.847 1.00 0.00 O ATOM 375 CB LYS A 22 6.475 -6.112 11.591 1.00 0.00 C ATOM 376 CG LYS A 22 4.963 -6.240 11.780 1.00 0.00 C ATOM 377 CD LYS A 22 4.591 -5.806 13.198 1.00 0.00 C ATOM 378 CE LYS A 22 3.081 -5.933 13.387 1.00 0.00 C ATOM 379 NZ LYS A 22 2.721 -5.525 14.773 1.00 0.00 N ATOM 0 H LYS A 22 6.955 -8.567 10.780 1.00 0.00 H new ATOM 0 HA LYS A 22 6.248 -6.004 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.997 -6.724 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.787 -5.080 11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.440 -5.622 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.650 -7.270 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.113 -6.424 13.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.905 -4.776 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.559 -5.306 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.766 -6.960 13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.693 -5.611 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.209 -6.141 15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.009 -4.538 14.930 1.00 0.00 H new ATOM 393 N ILE A 23 8.669 -6.007 8.664 1.00 0.00 N ATOM 394 CA ILE A 23 10.056 -5.726 8.291 1.00 0.00 C ATOM 395 C ILE A 23 10.250 -4.231 8.066 1.00 0.00 C ATOM 396 O ILE A 23 9.510 -3.603 7.310 1.00 0.00 O ATOM 397 CB ILE A 23 10.421 -6.475 7.009 1.00 0.00 C ATOM 398 CG1 ILE A 23 9.957 -7.932 7.110 1.00 0.00 C ATOM 399 CG2 ILE A 23 11.938 -6.430 6.801 1.00 0.00 C ATOM 400 CD1 ILE A 23 10.468 -8.569 8.407 1.00 0.00 C ATOM 0 H ILE A 23 8.009 -5.982 7.887 1.00 0.00 H new ATOM 0 HA ILE A 23 10.702 -6.058 9.103 1.00 0.00 H new ATOM 0 HB ILE A 23 9.926 -5.999 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.868 -7.976 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.322 -8.497 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.196 -6.964 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.263 -5.393 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.436 -6.901 7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.129 -9.604 8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.558 -8.543 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.081 -8.014 9.262 1.00 0.00 H new ATOM 412 N THR A 24 11.253 -3.667 8.726 1.00 0.00 N ATOM 413 CA THR A 24 11.539 -2.245 8.590 1.00 0.00 C ATOM 414 C THR A 24 12.022 -1.931 7.177 1.00 0.00 C ATOM 415 O THR A 24 12.768 -2.705 6.578 1.00 0.00 O ATOM 416 CB THR A 24 12.608 -1.830 9.601 1.00 0.00 C ATOM 417 OG1 THR A 24 12.889 -0.444 9.449 1.00 0.00 O ATOM 418 CG2 THR A 24 13.881 -2.640 9.362 1.00 0.00 C ATOM 0 H THR A 24 11.878 -4.168 9.357 1.00 0.00 H new ATOM 0 HA THR A 24 10.622 -1.687 8.782 1.00 0.00 H new ATOM 0 HB THR A 24 12.246 -2.019 10.612 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.573 -0.176 10.098 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.642 -2.343 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.664 -3.702 9.480 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.246 -2.454 8.352 1.00 0.00 H new ATOM 426 N PHE A 25 11.585 -0.788 6.655 1.00 0.00 N ATOM 427 CA PHE A 25 11.971 -0.357 5.307 1.00 0.00 C ATOM 428 C PHE A 25 12.804 0.916 5.377 1.00 0.00 C ATOM 429 O PHE A 25 12.461 1.862 6.085 1.00 0.00 O ATOM 430 CB PHE A 25 10.711 -0.117 4.450 1.00 0.00 C ATOM 431 CG PHE A 25 10.331 -1.386 3.713 1.00 0.00 C ATOM 432 CD1 PHE A 25 11.204 -1.906 2.751 1.00 0.00 C ATOM 433 CD2 PHE A 25 9.115 -2.028 3.977 1.00 0.00 C ATOM 434 CE1 PHE A 25 10.865 -3.069 2.054 1.00 0.00 C ATOM 435 CE2 PHE A 25 8.773 -3.189 3.274 1.00 0.00 C ATOM 436 CZ PHE A 25 9.649 -3.708 2.311 1.00 0.00 C ATOM 0 H PHE A 25 10.964 -0.142 7.141 1.00 0.00 H new ATOM 0 HA PHE A 25 12.571 -1.142 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 25 9.886 0.204 5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.895 0.686 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.140 -1.408 2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.442 -1.628 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.543 -3.474 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.834 -3.685 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.384 -4.603 1.767 1.00 0.00 H new ATOM 446 N ALA A 26 13.888 0.931 4.607 1.00 0.00 N ATOM 447 CA ALA A 26 14.777 2.087 4.537 1.00 0.00 C ATOM 448 C ALA A 26 15.184 2.334 3.087 1.00 0.00 C ATOM 449 O ALA A 26 15.391 1.386 2.331 1.00 0.00 O ATOM 450 CB ALA A 26 16.026 1.833 5.387 1.00 0.00 C ATOM 0 H ALA A 26 14.174 0.149 4.018 1.00 0.00 H new ATOM 0 HA ALA A 26 14.256 2.964 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.686 2.699 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.733 1.666 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.549 0.953 5.012 1.00 0.00 H new ATOM 456 N LEU A 27 15.297 3.605 2.705 1.00 0.00 N ATOM 457 CA LEU A 27 15.690 3.975 1.343 1.00 0.00 C ATOM 458 C LEU A 27 14.626 3.590 0.339 1.00 0.00 C ATOM 459 O LEU A 27 14.922 3.015 -0.709 1.00 0.00 O ATOM 460 CB LEU A 27 17.013 3.316 0.955 1.00 0.00 C ATOM 461 CG LEU A 27 18.032 3.495 2.089 1.00 0.00 C ATOM 462 CD1 LEU A 27 19.362 2.845 1.696 1.00 0.00 C ATOM 463 CD2 LEU A 27 18.243 4.988 2.368 1.00 0.00 C ATOM 0 H LEU A 27 15.122 4.399 3.320 1.00 0.00 H new ATOM 0 HA LEU A 27 15.812 5.058 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.858 2.256 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.396 3.760 0.036 1.00 0.00 H new ATOM 0 HG LEU A 27 17.653 3.015 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.083 2.974 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.207 1.781 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 19.744 3.316 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.967 5.109 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.616 5.477 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.296 5.441 2.661 1.00 0.00 H new ATOM 475 N ASP A 28 13.380 3.915 0.663 1.00 0.00 N ATOM 476 CA ASP A 28 12.257 3.613 -0.217 1.00 0.00 C ATOM 477 C ASP A 28 11.421 4.880 -0.463 1.00 0.00 C ATOM 478 O ASP A 28 10.314 4.810 -0.995 1.00 0.00 O ATOM 479 CB ASP A 28 11.392 2.494 0.409 1.00 0.00 C ATOM 480 CG ASP A 28 12.159 1.782 1.523 1.00 0.00 C ATOM 481 OD1 ASP A 28 12.173 2.302 2.627 1.00 0.00 O ATOM 482 OD2 ASP A 28 12.726 0.737 1.253 1.00 0.00 O ATOM 0 H ASP A 28 13.122 4.388 1.529 1.00 0.00 H new ATOM 0 HA ASP A 28 12.634 3.264 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.471 2.919 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.105 1.776 -0.359 1.00 0.00 H new ATOM 487 N ALA A 29 11.964 6.031 -0.077 1.00 0.00 N ATOM 488 CA ALA A 29 11.272 7.312 -0.266 1.00 0.00 C ATOM 489 C ALA A 29 9.760 7.177 -0.049 1.00 0.00 C ATOM 490 O ALA A 29 9.298 6.786 1.034 1.00 0.00 O ATOM 491 CB ALA A 29 11.536 7.831 -1.685 1.00 0.00 C ATOM 0 H ALA A 29 12.879 6.108 0.368 1.00 0.00 H new ATOM 0 HA ALA A 29 11.658 8.014 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.022 8.782 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.607 7.973 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.166 7.108 -2.412 1.00 0.00 H new ATOM 497 N THR A 30 8.992 7.498 -1.089 1.00 0.00 N ATOM 498 CA THR A 30 7.541 7.413 -1.005 1.00 0.00 C ATOM 499 C THR A 30 7.150 6.054 -0.449 1.00 0.00 C ATOM 500 O THR A 30 6.501 5.972 0.587 1.00 0.00 O ATOM 501 CB THR A 30 6.907 7.604 -2.399 1.00 0.00 C ATOM 502 OG1 THR A 30 5.777 6.750 -2.533 1.00 0.00 O ATOM 503 CG2 THR A 30 7.927 7.259 -3.488 1.00 0.00 C ATOM 0 H THR A 30 9.349 7.816 -1.990 1.00 0.00 H new ATOM 0 HA THR A 30 7.177 8.202 -0.346 1.00 0.00 H new ATOM 0 HB THR A 30 6.598 8.644 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.376 6.875 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.472 7.396 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.794 7.913 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.242 6.222 -3.376 1.00 0.00 H new ATOM 511 N PHE A 31 7.542 4.987 -1.145 1.00 0.00 N ATOM 512 CA PHE A 31 7.207 3.632 -0.706 1.00 0.00 C ATOM 513 C PHE A 31 7.344 3.511 0.809 1.00 0.00 C ATOM 514 O PHE A 31 6.484 2.943 1.475 1.00 0.00 O ATOM 515 CB PHE A 31 8.127 2.604 -1.403 1.00 0.00 C ATOM 516 CG PHE A 31 8.580 3.148 -2.739 1.00 0.00 C ATOM 517 CD1 PHE A 31 7.618 3.543 -3.670 1.00 0.00 C ATOM 518 CD2 PHE A 31 9.953 3.259 -3.050 1.00 0.00 C ATOM 519 CE1 PHE A 31 8.005 4.048 -4.910 1.00 0.00 C ATOM 520 CE2 PHE A 31 10.339 3.768 -4.298 1.00 0.00 C ATOM 521 CZ PHE A 31 9.364 4.164 -5.228 1.00 0.00 C ATOM 0 H PHE A 31 8.086 5.033 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 31 6.172 3.426 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.992 2.391 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.595 1.663 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.569 3.457 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.700 2.954 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.256 4.350 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.387 3.856 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.662 4.558 -6.188 1.00 0.00 H new ATOM 531 N ASP A 32 8.429 4.052 1.349 1.00 0.00 N ATOM 532 CA ASP A 32 8.653 3.989 2.786 1.00 0.00 C ATOM 533 C ASP A 32 7.468 4.604 3.520 1.00 0.00 C ATOM 534 O ASP A 32 6.893 3.989 4.420 1.00 0.00 O ATOM 535 CB ASP A 32 9.928 4.753 3.161 1.00 0.00 C ATOM 536 CG ASP A 32 10.371 4.371 4.569 1.00 0.00 C ATOM 537 OD1 ASP A 32 9.573 3.789 5.283 1.00 0.00 O ATOM 538 OD2 ASP A 32 11.506 4.664 4.910 1.00 0.00 O ATOM 0 H ASP A 32 9.158 4.533 0.822 1.00 0.00 H new ATOM 0 HA ASP A 32 8.764 2.944 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.720 4.526 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.748 5.827 3.107 1.00 0.00 H new ATOM 543 N SER A 33 7.110 5.824 3.133 1.00 0.00 N ATOM 544 CA SER A 33 5.991 6.511 3.773 1.00 0.00 C ATOM 545 C SER A 33 4.655 5.845 3.447 1.00 0.00 C ATOM 546 O SER A 33 3.781 5.737 4.306 1.00 0.00 O ATOM 547 CB SER A 33 5.952 7.977 3.337 1.00 0.00 C ATOM 548 OG SER A 33 7.098 8.646 3.842 1.00 0.00 O ATOM 0 H SER A 33 7.570 6.352 2.391 1.00 0.00 H new ATOM 0 HA SER A 33 6.145 6.451 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.927 8.045 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.045 8.455 3.707 1.00 0.00 H new ATOM 0 HG SER A 33 7.078 9.585 3.563 1.00 0.00 H new ATOM 554 N VAL A 34 4.494 5.425 2.195 1.00 0.00 N ATOM 555 CA VAL A 34 3.252 4.799 1.756 1.00 0.00 C ATOM 556 C VAL A 34 3.000 3.488 2.498 1.00 0.00 C ATOM 557 O VAL A 34 1.933 3.291 3.068 1.00 0.00 O ATOM 558 CB VAL A 34 3.330 4.510 0.256 1.00 0.00 C ATOM 559 CG1 VAL A 34 2.038 3.836 -0.208 1.00 0.00 C ATOM 560 CG2 VAL A 34 3.540 5.813 -0.520 1.00 0.00 C ATOM 0 H VAL A 34 5.206 5.507 1.469 1.00 0.00 H new ATOM 0 HA VAL A 34 2.433 5.485 1.971 1.00 0.00 H new ATOM 0 HB VAL A 34 4.172 3.845 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.098 3.632 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.901 2.900 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.193 4.495 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.594 5.596 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.706 6.489 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.469 6.283 -0.198 1.00 0.00 H new ATOM 570 N LEU A 35 3.990 2.599 2.484 1.00 0.00 N ATOM 571 CA LEU A 35 3.858 1.311 3.165 1.00 0.00 C ATOM 572 C LEU A 35 3.765 1.504 4.676 1.00 0.00 C ATOM 573 O LEU A 35 2.970 0.849 5.347 1.00 0.00 O ATOM 574 CB LEU A 35 5.051 0.399 2.819 1.00 0.00 C ATOM 575 CG LEU A 35 4.776 -0.374 1.520 1.00 0.00 C ATOM 576 CD1 LEU A 35 4.540 0.602 0.365 1.00 0.00 C ATOM 577 CD2 LEU A 35 5.980 -1.261 1.199 1.00 0.00 C ATOM 0 H LEU A 35 4.884 2.743 2.014 1.00 0.00 H new ATOM 0 HA LEU A 35 2.939 0.836 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.955 0.998 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.230 -0.301 3.635 1.00 0.00 H new ATOM 0 HG LEU A 35 3.886 -0.989 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.346 0.043 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.682 1.234 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.424 1.225 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.791 -1.812 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.867 -0.640 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.142 -1.964 2.016 1.00 0.00 H new ATOM 589 N SER A 36 4.591 2.400 5.205 1.00 0.00 N ATOM 590 CA SER A 36 4.597 2.660 6.639 1.00 0.00 C ATOM 591 C SER A 36 3.228 3.143 7.106 1.00 0.00 C ATOM 592 O SER A 36 2.728 2.713 8.147 1.00 0.00 O ATOM 593 CB SER A 36 5.653 3.713 6.971 1.00 0.00 C ATOM 594 OG SER A 36 6.943 3.197 6.673 1.00 0.00 O ATOM 0 H SER A 36 5.259 2.953 4.668 1.00 0.00 H new ATOM 0 HA SER A 36 4.834 1.730 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.471 4.621 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.592 3.985 8.025 1.00 0.00 H new ATOM 0 HG SER A 36 7.087 3.216 5.704 1.00 0.00 H new ATOM 600 N LYS A 37 2.628 4.044 6.336 1.00 0.00 N ATOM 601 CA LYS A 37 1.320 4.588 6.681 1.00 0.00 C ATOM 602 C LYS A 37 0.201 3.616 6.309 1.00 0.00 C ATOM 603 O LYS A 37 -0.873 3.638 6.905 1.00 0.00 O ATOM 604 CB LYS A 37 1.105 5.923 5.955 1.00 0.00 C ATOM 605 CG LYS A 37 -0.261 6.533 6.316 1.00 0.00 C ATOM 606 CD LYS A 37 -0.341 6.811 7.822 1.00 0.00 C ATOM 607 CE LYS A 37 -1.472 7.799 8.115 1.00 0.00 C ATOM 608 NZ LYS A 37 -1.543 8.035 9.584 1.00 0.00 N ATOM 0 H LYS A 37 3.025 4.412 5.472 1.00 0.00 H new ATOM 0 HA LYS A 37 1.292 4.746 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.900 6.619 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.165 5.769 4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.411 7.459 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.060 5.852 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.512 5.880 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.607 7.216 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.296 8.738 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.420 7.404 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.310 8.706 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.729 7.135 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.640 8.429 9.916 1.00 0.00 H new ATOM 622 N ALA A 38 0.454 2.782 5.309 1.00 0.00 N ATOM 623 CA ALA A 38 -0.546 1.826 4.852 1.00 0.00 C ATOM 624 C ALA A 38 -0.613 0.625 5.779 1.00 0.00 C ATOM 625 O ALA A 38 -1.574 0.462 6.531 1.00 0.00 O ATOM 626 CB ALA A 38 -0.209 1.349 3.439 1.00 0.00 C ATOM 0 H ALA A 38 1.338 2.748 4.801 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.514 2.327 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.962 0.635 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.194 2.202 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.770 0.869 3.441 1.00 0.00 H new ATOM 632 N CYS A 39 0.409 -0.219 5.715 1.00 0.00 N ATOM 633 CA CYS A 39 0.454 -1.412 6.551 1.00 0.00 C ATOM 634 C CYS A 39 1.895 -1.822 6.829 1.00 0.00 C ATOM 635 O CYS A 39 2.537 -2.469 6.004 1.00 0.00 O ATOM 636 CB CYS A 39 -0.280 -2.560 5.856 1.00 0.00 C ATOM 637 SG CYS A 39 0.444 -2.840 4.223 1.00 0.00 S ATOM 0 H CYS A 39 1.212 -0.101 5.098 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.034 -1.187 7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.210 -3.467 6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.339 -2.323 5.760 1.00 0.00 H new ATOM 0 HG CYS A 39 1.739 -2.751 4.301 1.00 0.00 H new ATOM 643 N SER A 40 2.392 -1.445 8.001 1.00 0.00 N ATOM 644 CA SER A 40 3.759 -1.787 8.384 1.00 0.00 C ATOM 645 C SER A 40 4.000 -3.283 8.205 1.00 0.00 C ATOM 646 O SER A 40 5.117 -3.710 7.909 1.00 0.00 O ATOM 647 CB SER A 40 4.007 -1.399 9.841 1.00 0.00 C ATOM 648 OG SER A 40 3.085 -2.086 10.676 1.00 0.00 O ATOM 0 H SER A 40 1.876 -0.908 8.698 1.00 0.00 H new ATOM 0 HA SER A 40 4.447 -1.237 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.029 -1.649 10.126 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.895 -0.322 9.966 1.00 0.00 H new ATOM 0 HG SER A 40 3.244 -1.839 11.611 1.00 0.00 H new ATOM 654 N GLU A 41 2.943 -4.074 8.379 1.00 0.00 N ATOM 655 CA GLU A 41 3.042 -5.526 8.223 1.00 0.00 C ATOM 656 C GLU A 41 2.865 -5.910 6.760 1.00 0.00 C ATOM 657 O GLU A 41 2.100 -5.280 6.030 1.00 0.00 O ATOM 658 CB GLU A 41 1.972 -6.216 9.071 1.00 0.00 C ATOM 659 CG GLU A 41 0.589 -5.732 8.637 1.00 0.00 C ATOM 660 CD GLU A 41 -0.482 -6.334 9.539 1.00 0.00 C ATOM 661 OE1 GLU A 41 -0.238 -6.433 10.730 1.00 0.00 O ATOM 662 OE2 GLU A 41 -1.532 -6.685 9.025 1.00 0.00 O ATOM 0 H GLU A 41 2.012 -3.738 8.627 1.00 0.00 H new ATOM 0 HA GLU A 41 4.028 -5.848 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.043 -7.298 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.131 -5.996 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.545 -4.644 8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.404 -6.015 7.601 1.00 0.00 H new ATOM 669 N PHE A 42 3.584 -6.946 6.324 1.00 0.00 N ATOM 670 CA PHE A 42 3.505 -7.403 4.933 1.00 0.00 C ATOM 671 C PHE A 42 3.262 -8.909 4.877 1.00 0.00 C ATOM 672 O PHE A 42 3.851 -9.670 5.645 1.00 0.00 O ATOM 673 CB PHE A 42 4.816 -7.076 4.218 1.00 0.00 C ATOM 674 CG PHE A 42 5.163 -5.626 4.458 1.00 0.00 C ATOM 675 CD1 PHE A 42 4.528 -4.617 3.718 1.00 0.00 C ATOM 676 CD2 PHE A 42 6.113 -5.289 5.427 1.00 0.00 C ATOM 677 CE1 PHE A 42 4.850 -3.275 3.953 1.00 0.00 C ATOM 678 CE2 PHE A 42 6.433 -3.949 5.661 1.00 0.00 C ATOM 679 CZ PHE A 42 5.802 -2.940 4.924 1.00 0.00 C ATOM 0 H PHE A 42 4.224 -7.483 6.909 1.00 0.00 H new ATOM 0 HA PHE A 42 2.675 -6.894 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.615 -7.719 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.719 -7.267 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.793 -4.875 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.601 -6.066 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.363 -2.496 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.167 -3.692 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.049 -1.904 5.104 1.00 0.00 H new ATOM 689 N GLU A 43 2.393 -9.331 3.966 1.00 0.00 N ATOM 690 CA GLU A 43 2.086 -10.749 3.820 1.00 0.00 C ATOM 691 C GLU A 43 3.203 -11.465 3.070 1.00 0.00 C ATOM 692 O GLU A 43 3.700 -10.965 2.059 1.00 0.00 O ATOM 693 CB GLU A 43 0.766 -10.927 3.068 1.00 0.00 C ATOM 694 CG GLU A 43 0.384 -12.410 3.054 1.00 0.00 C ATOM 695 CD GLU A 43 -0.947 -12.597 2.336 1.00 0.00 C ATOM 696 OE1 GLU A 43 -0.945 -12.591 1.116 1.00 0.00 O ATOM 697 OE2 GLU A 43 -1.949 -12.742 3.019 1.00 0.00 O ATOM 0 H GLU A 43 1.892 -8.718 3.323 1.00 0.00 H new ATOM 0 HA GLU A 43 1.995 -11.184 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.020 -10.342 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.863 -10.556 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.161 -12.990 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.312 -12.785 4.075 1.00 0.00 H new ATOM 704 N VAL A 44 3.586 -12.646 3.557 1.00 0.00 N ATOM 705 CA VAL A 44 4.641 -13.433 2.903 1.00 0.00 C ATOM 706 C VAL A 44 4.295 -14.920 2.935 1.00 0.00 C ATOM 707 O VAL A 44 3.554 -15.374 3.805 1.00 0.00 O ATOM 708 CB VAL A 44 5.986 -13.201 3.600 1.00 0.00 C ATOM 709 CG1 VAL A 44 5.834 -13.445 5.102 1.00 0.00 C ATOM 710 CG2 VAL A 44 7.040 -14.152 3.025 1.00 0.00 C ATOM 0 H VAL A 44 3.189 -13.078 4.392 1.00 0.00 H new ATOM 0 HA VAL A 44 4.716 -13.109 1.865 1.00 0.00 H new ATOM 0 HB VAL A 44 6.305 -12.172 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.791 -13.280 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.092 -12.758 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.510 -14.472 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.994 -13.983 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.725 -15.183 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.152 -13.968 1.957 1.00 0.00 H new ATOM 720 N ASP A 45 4.844 -15.671 1.984 1.00 0.00 N ATOM 721 CA ASP A 45 4.597 -17.111 1.908 1.00 0.00 C ATOM 722 C ASP A 45 5.801 -17.830 1.308 1.00 0.00 C ATOM 723 O ASP A 45 6.490 -17.291 0.443 1.00 0.00 O ATOM 724 CB ASP A 45 3.364 -17.390 1.052 1.00 0.00 C ATOM 725 CG ASP A 45 2.979 -18.861 1.170 1.00 0.00 C ATOM 726 OD1 ASP A 45 3.384 -19.482 2.139 1.00 0.00 O ATOM 727 OD2 ASP A 45 2.285 -19.346 0.290 1.00 0.00 O ATOM 0 H ASP A 45 5.461 -15.309 1.257 1.00 0.00 H new ATOM 0 HA ASP A 45 4.428 -17.481 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.535 -16.760 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.568 -17.140 0.011 1.00 0.00 H new ATOM 732 N LYS A 46 6.052 -19.048 1.776 1.00 0.00 N ATOM 733 CA LYS A 46 7.181 -19.835 1.281 1.00 0.00 C ATOM 734 C LYS A 46 7.319 -19.684 -0.232 1.00 0.00 C ATOM 735 O LYS A 46 8.412 -19.826 -0.784 1.00 0.00 O ATOM 736 CB LYS A 46 6.978 -21.310 1.628 1.00 0.00 C ATOM 737 CG LYS A 46 7.081 -21.498 3.142 1.00 0.00 C ATOM 738 CD LYS A 46 6.846 -22.970 3.490 1.00 0.00 C ATOM 739 CE LYS A 46 6.956 -23.158 5.003 1.00 0.00 C ATOM 740 NZ LYS A 46 6.703 -24.587 5.344 1.00 0.00 N ATOM 0 H LYS A 46 5.494 -19.512 2.493 1.00 0.00 H new ATOM 0 HA LYS A 46 8.091 -19.469 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.003 -21.647 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.728 -21.920 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.064 -21.183 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.346 -20.872 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.861 -23.284 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.578 -23.597 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.947 -22.861 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.236 -22.518 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.777 -24.717 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.749 -24.855 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.406 -25.187 4.868 1.00 0.00 H new ATOM 754 N ASP A 47 6.202 -19.391 -0.896 1.00 0.00 N ATOM 755 CA ASP A 47 6.192 -19.212 -2.349 1.00 0.00 C ATOM 756 C ASP A 47 5.318 -18.023 -2.729 1.00 0.00 C ATOM 757 O ASP A 47 4.114 -18.165 -2.945 1.00 0.00 O ATOM 758 CB ASP A 47 5.655 -20.474 -3.025 1.00 0.00 C ATOM 759 CG ASP A 47 6.578 -21.651 -2.733 1.00 0.00 C ATOM 760 OD1 ASP A 47 7.505 -21.857 -3.497 1.00 0.00 O ATOM 761 OD2 ASP A 47 6.344 -22.330 -1.744 1.00 0.00 O ATOM 0 H ASP A 47 5.291 -19.272 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 47 7.213 -19.026 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.650 -20.691 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.581 -20.317 -4.101 1.00 0.00 H new ATOM 766 N VAL A 48 5.937 -16.846 -2.812 1.00 0.00 N ATOM 767 CA VAL A 48 5.218 -15.623 -3.172 1.00 0.00 C ATOM 768 C VAL A 48 6.063 -14.784 -4.121 1.00 0.00 C ATOM 769 O VAL A 48 7.284 -14.932 -4.179 1.00 0.00 O ATOM 770 CB VAL A 48 4.893 -14.800 -1.920 1.00 0.00 C ATOM 771 CG1 VAL A 48 6.172 -14.542 -1.122 1.00 0.00 C ATOM 772 CG2 VAL A 48 4.273 -13.460 -2.332 1.00 0.00 C ATOM 0 H VAL A 48 6.933 -16.713 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 48 4.286 -15.905 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 48 4.187 -15.355 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.935 -13.957 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.612 -15.493 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.882 -13.992 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.043 -12.876 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.978 -12.909 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.357 -13.641 -2.894 1.00 0.00 H new ATOM 782 N THR A 49 5.401 -13.899 -4.861 1.00 0.00 N ATOM 783 CA THR A 49 6.087 -13.026 -5.815 1.00 0.00 C ATOM 784 C THR A 49 5.822 -11.560 -5.481 1.00 0.00 C ATOM 785 O THR A 49 4.699 -11.182 -5.158 1.00 0.00 O ATOM 786 CB THR A 49 5.594 -13.315 -7.231 1.00 0.00 C ATOM 787 OG1 THR A 49 4.217 -12.979 -7.325 1.00 0.00 O ATOM 788 CG2 THR A 49 5.780 -14.800 -7.550 1.00 0.00 C ATOM 0 H THR A 49 4.391 -13.766 -4.820 1.00 0.00 H new ATOM 0 HA THR A 49 7.158 -13.220 -5.752 1.00 0.00 H new ATOM 0 HB THR A 49 6.167 -12.721 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.897 -13.161 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.427 -15.002 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.836 -15.059 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.209 -15.399 -6.840 1.00 0.00 H new ATOM 796 N LEU A 50 6.870 -10.748 -5.562 1.00 0.00 N ATOM 797 CA LEU A 50 6.761 -9.317 -5.272 1.00 0.00 C ATOM 798 C LEU A 50 5.436 -8.757 -5.788 1.00 0.00 C ATOM 799 O LEU A 50 4.917 -7.760 -5.279 1.00 0.00 O ATOM 800 CB LEU A 50 7.928 -8.557 -5.917 1.00 0.00 C ATOM 801 CG LEU A 50 7.861 -8.635 -7.456 1.00 0.00 C ATOM 802 CD1 LEU A 50 8.973 -7.760 -8.043 1.00 0.00 C ATOM 803 CD2 LEU A 50 8.047 -10.090 -7.925 1.00 0.00 C ATOM 0 H LEU A 50 7.807 -11.053 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 50 6.797 -9.186 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.905 -7.514 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.873 -8.974 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 50 6.887 -8.282 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.936 -7.807 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.834 -6.729 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.941 -8.121 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.998 -10.131 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.017 -10.458 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.258 -10.712 -7.502 1.00 0.00 H new ATOM 815 N ASP A 51 4.897 -9.412 -6.806 1.00 0.00 N ATOM 816 CA ASP A 51 3.643 -8.980 -7.402 1.00 0.00 C ATOM 817 C ASP A 51 2.542 -8.976 -6.350 1.00 0.00 C ATOM 818 O ASP A 51 1.732 -8.050 -6.285 1.00 0.00 O ATOM 819 CB ASP A 51 3.260 -9.922 -8.542 1.00 0.00 C ATOM 820 CG ASP A 51 4.182 -9.698 -9.738 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.862 -8.686 -9.756 1.00 0.00 O ATOM 822 OD2 ASP A 51 4.196 -10.547 -10.614 1.00 0.00 O ATOM 0 H ASP A 51 5.307 -10.242 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 51 3.766 -7.971 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.329 -10.957 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.224 -9.750 -8.834 1.00 0.00 H new ATOM 827 N GLU A 52 2.528 -10.008 -5.517 1.00 0.00 N ATOM 828 CA GLU A 52 1.532 -10.102 -4.460 1.00 0.00 C ATOM 829 C GLU A 52 1.730 -8.967 -3.459 1.00 0.00 C ATOM 830 O GLU A 52 0.767 -8.458 -2.895 1.00 0.00 O ATOM 831 CB GLU A 52 1.645 -11.446 -3.743 1.00 0.00 C ATOM 832 CG GLU A 52 0.520 -11.571 -2.713 1.00 0.00 C ATOM 833 CD GLU A 52 0.569 -12.941 -2.050 1.00 0.00 C ATOM 834 OE1 GLU A 52 1.242 -13.811 -2.577 1.00 0.00 O ATOM 835 OE2 GLU A 52 -0.068 -13.102 -1.021 1.00 0.00 O ATOM 0 H GLU A 52 3.188 -10.785 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 52 0.540 -10.022 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.585 -12.261 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.614 -11.527 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.618 -10.790 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.446 -11.427 -3.198 1.00 0.00 H new ATOM 842 N LEU A 53 2.989 -8.573 -3.247 1.00 0.00 N ATOM 843 CA LEU A 53 3.288 -7.493 -2.310 1.00 0.00 C ATOM 844 C LEU A 53 2.637 -6.199 -2.788 1.00 0.00 C ATOM 845 O LEU A 53 2.063 -5.448 -2.008 1.00 0.00 O ATOM 846 CB LEU A 53 4.803 -7.295 -2.184 1.00 0.00 C ATOM 847 CG LEU A 53 5.117 -6.256 -1.096 1.00 0.00 C ATOM 848 CD1 LEU A 53 4.665 -6.768 0.286 1.00 0.00 C ATOM 849 CD2 LEU A 53 6.628 -5.995 -1.087 1.00 0.00 C ATOM 0 H LEU A 53 3.804 -8.980 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 53 2.888 -7.760 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.281 -8.243 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.214 -6.967 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 53 4.579 -5.332 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.895 -6.020 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.591 -6.952 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.189 -7.695 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.866 -5.259 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.157 -6.924 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.938 -5.616 -2.061 1.00 0.00 H new ATOM 861 N LEU A 54 2.725 -5.934 -4.079 1.00 0.00 N ATOM 862 CA LEU A 54 2.115 -4.722 -4.623 1.00 0.00 C ATOM 863 C LEU A 54 0.590 -4.816 -4.569 1.00 0.00 C ATOM 864 O LEU A 54 -0.092 -3.849 -4.228 1.00 0.00 O ATOM 865 CB LEU A 54 2.584 -4.512 -6.062 1.00 0.00 C ATOM 866 CG LEU A 54 4.113 -4.568 -6.106 1.00 0.00 C ATOM 867 CD1 LEU A 54 4.582 -4.414 -7.552 1.00 0.00 C ATOM 868 CD2 LEU A 54 4.706 -3.442 -5.245 1.00 0.00 C ATOM 0 H LEU A 54 3.201 -6.524 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 54 2.424 -3.870 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.161 -5.279 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.232 -3.550 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 54 4.450 -5.527 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.671 -4.453 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.170 -5.222 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.241 -3.456 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.794 -3.490 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.372 -2.477 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.373 -3.559 -4.214 1.00 0.00 H new ATOM 880 N ASP A 55 0.064 -5.987 -4.917 1.00 0.00 N ATOM 881 CA ASP A 55 -1.380 -6.208 -4.920 1.00 0.00 C ATOM 882 C ASP A 55 -1.982 -6.116 -3.514 1.00 0.00 C ATOM 883 O ASP A 55 -3.043 -5.516 -3.329 1.00 0.00 O ATOM 884 CB ASP A 55 -1.678 -7.592 -5.498 1.00 0.00 C ATOM 885 CG ASP A 55 -1.390 -7.610 -6.996 1.00 0.00 C ATOM 886 OD1 ASP A 55 -1.247 -6.539 -7.564 1.00 0.00 O ATOM 887 OD2 ASP A 55 -1.314 -8.693 -7.554 1.00 0.00 O ATOM 0 H ASP A 55 0.615 -6.797 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.832 -5.426 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.070 -8.343 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.721 -7.853 -5.318 1.00 0.00 H new ATOM 892 N VAL A 56 -1.316 -6.727 -2.536 1.00 0.00 N ATOM 893 CA VAL A 56 -1.822 -6.718 -1.169 1.00 0.00 C ATOM 894 C VAL A 56 -1.660 -5.340 -0.545 1.00 0.00 C ATOM 895 O VAL A 56 -2.540 -4.864 0.168 1.00 0.00 O ATOM 896 CB VAL A 56 -1.088 -7.767 -0.326 1.00 0.00 C ATOM 897 CG1 VAL A 56 0.362 -7.338 -0.131 1.00 0.00 C ATOM 898 CG2 VAL A 56 -1.764 -7.907 1.038 1.00 0.00 C ATOM 0 H VAL A 56 -0.437 -7.228 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.884 -6.963 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.121 -8.726 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.885 -8.084 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.848 -7.247 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.391 -6.376 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.236 -8.654 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.739 -6.949 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.800 -8.218 0.901 1.00 0.00 H new ATOM 908 N VAL A 57 -0.528 -4.704 -0.817 1.00 0.00 N ATOM 909 CA VAL A 57 -0.266 -3.381 -0.270 1.00 0.00 C ATOM 910 C VAL A 57 -1.316 -2.391 -0.755 1.00 0.00 C ATOM 911 O VAL A 57 -1.893 -1.647 0.038 1.00 0.00 O ATOM 912 CB VAL A 57 1.130 -2.916 -0.705 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.313 -1.423 -0.391 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.197 -3.731 0.042 1.00 0.00 C ATOM 0 H VAL A 57 0.216 -5.078 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.311 -3.430 0.818 1.00 0.00 H new ATOM 0 HB VAL A 57 1.236 -3.068 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.307 -1.105 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.561 -0.844 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.201 -1.260 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.189 -3.401 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.083 -3.582 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.077 -4.789 -0.192 1.00 0.00 H new ATOM 924 N LEU A 58 -1.574 -2.393 -2.058 1.00 0.00 N ATOM 925 CA LEU A 58 -2.564 -1.483 -2.604 1.00 0.00 C ATOM 926 C LEU A 58 -3.938 -1.815 -2.035 1.00 0.00 C ATOM 927 O LEU A 58 -4.622 -0.947 -1.486 1.00 0.00 O ATOM 928 CB LEU A 58 -2.592 -1.617 -4.128 1.00 0.00 C ATOM 929 CG LEU A 58 -3.402 -0.453 -4.740 1.00 0.00 C ATOM 930 CD1 LEU A 58 -2.478 0.743 -4.988 1.00 0.00 C ATOM 931 CD2 LEU A 58 -4.015 -0.892 -6.072 1.00 0.00 C ATOM 0 H LEU A 58 -1.121 -3.001 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.303 -0.460 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.576 -1.611 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.038 -2.571 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.194 -0.170 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.052 1.563 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.039 1.065 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.685 0.453 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.585 -0.067 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.221 -1.179 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.676 -1.742 -5.906 1.00 0.00 H new ATOM 943 N ASP A 59 -4.337 -3.075 -2.178 1.00 0.00 N ATOM 944 CA ASP A 59 -5.638 -3.510 -1.684 1.00 0.00 C ATOM 945 C ASP A 59 -5.794 -3.114 -0.221 1.00 0.00 C ATOM 946 O ASP A 59 -6.873 -2.706 0.209 1.00 0.00 O ATOM 947 CB ASP A 59 -5.780 -5.026 -1.835 1.00 0.00 C ATOM 948 CG ASP A 59 -7.143 -5.473 -1.314 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.851 -4.642 -0.773 1.00 0.00 O ATOM 950 OD2 ASP A 59 -7.459 -6.642 -1.466 1.00 0.00 O ATOM 0 H ASP A 59 -3.785 -3.806 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.419 -3.025 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.671 -5.308 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.987 -5.531 -1.284 1.00 0.00 H new ATOM 955 N ALA A 60 -4.709 -3.230 0.536 1.00 0.00 N ATOM 956 CA ALA A 60 -4.735 -2.873 1.946 1.00 0.00 C ATOM 957 C ALA A 60 -5.040 -1.388 2.111 1.00 0.00 C ATOM 958 O ALA A 60 -5.816 -0.999 2.984 1.00 0.00 O ATOM 959 CB ALA A 60 -3.381 -3.189 2.591 1.00 0.00 C ATOM 0 H ALA A 60 -3.807 -3.566 0.198 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.516 -3.454 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.409 -2.919 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.172 -4.254 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.598 -2.619 2.091 1.00 0.00 H new ATOM 965 N VAL A 61 -4.430 -0.561 1.264 1.00 0.00 N ATOM 966 CA VAL A 61 -4.653 0.880 1.333 1.00 0.00 C ATOM 967 C VAL A 61 -6.116 1.211 1.042 1.00 0.00 C ATOM 968 O VAL A 61 -6.733 2.008 1.748 1.00 0.00 O ATOM 969 CB VAL A 61 -3.754 1.603 0.319 1.00 0.00 C ATOM 970 CG1 VAL A 61 -4.127 3.089 0.254 1.00 0.00 C ATOM 971 CG2 VAL A 61 -2.293 1.469 0.750 1.00 0.00 C ATOM 0 H VAL A 61 -3.786 -0.859 0.531 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.407 1.216 2.340 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.893 1.154 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.485 3.594 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.168 3.190 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.994 3.541 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.653 1.981 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.162 1.915 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.021 0.414 0.790 1.00 0.00 H new ATOM 981 N GLU A 62 -6.657 0.603 -0.011 1.00 0.00 N ATOM 982 CA GLU A 62 -8.040 0.848 -0.403 1.00 0.00 C ATOM 983 C GLU A 62 -8.997 0.317 0.653 1.00 0.00 C ATOM 984 O GLU A 62 -9.977 0.974 1.012 1.00 0.00 O ATOM 985 CB GLU A 62 -8.331 0.160 -1.735 1.00 0.00 C ATOM 986 CG GLU A 62 -7.322 0.642 -2.772 1.00 0.00 C ATOM 987 CD GLU A 62 -7.607 -0.004 -4.125 1.00 0.00 C ATOM 988 OE1 GLU A 62 -8.611 -0.685 -4.233 1.00 0.00 O ATOM 989 OE2 GLU A 62 -6.810 0.190 -5.030 1.00 0.00 O ATOM 0 H GLU A 62 -6.160 -0.060 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.183 1.924 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.267 -0.922 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.346 0.387 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.372 1.727 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.311 0.395 -2.449 1.00 0.00 H new ATOM 996 N SER A 63 -8.711 -0.882 1.143 1.00 0.00 N ATOM 997 CA SER A 63 -9.552 -1.502 2.152 1.00 0.00 C ATOM 998 C SER A 63 -9.590 -0.651 3.414 1.00 0.00 C ATOM 999 O SER A 63 -10.658 -0.391 3.966 1.00 0.00 O ATOM 1000 CB SER A 63 -9.005 -2.887 2.477 1.00 0.00 C ATOM 1001 OG SER A 63 -9.599 -3.355 3.682 1.00 0.00 O ATOM 0 H SER A 63 -7.906 -1.441 0.858 1.00 0.00 H new ATOM 0 HA SER A 63 -10.568 -1.588 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.220 -3.576 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.921 -2.847 2.584 1.00 0.00 H new ATOM 0 HG SER A 63 -9.251 -4.246 3.894 1.00 0.00 H new ATOM 1007 N THR A 64 -8.420 -0.220 3.868 1.00 0.00 N ATOM 1008 CA THR A 64 -8.342 0.598 5.068 1.00 0.00 C ATOM 1009 C THR A 64 -8.798 2.021 4.770 1.00 0.00 C ATOM 1010 O THR A 64 -9.908 2.416 5.126 1.00 0.00 O ATOM 1011 CB THR A 64 -6.904 0.621 5.596 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.033 1.071 4.565 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.494 -0.783 6.039 1.00 0.00 C ATOM 0 H THR A 64 -7.522 -0.421 3.428 1.00 0.00 H new ATOM 0 HA THR A 64 -8.997 0.166 5.824 1.00 0.00 H new ATOM 0 HB THR A 64 -6.840 1.297 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.765 0.310 4.008 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.471 -0.762 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.163 -1.125 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.556 -1.465 5.191 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.934 2.790 4.109 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.252 4.175 3.758 1.00 0.00 C ATOM 1023 C LEU A 65 -8.464 4.308 2.256 1.00 0.00 C ATOM 1024 O LEU A 65 -7.521 4.217 1.474 1.00 0.00 O ATOM 1025 CB LEU A 65 -7.116 5.094 4.208 1.00 0.00 C ATOM 1026 CG LEU A 65 -6.982 5.044 5.735 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -5.663 5.702 6.144 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -8.151 5.790 6.406 1.00 0.00 C ATOM 0 H LEU A 65 -7.011 2.480 3.806 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.173 4.464 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.180 4.786 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.313 6.116 3.884 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.000 4.003 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.561 5.670 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.832 5.166 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.655 6.739 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.038 5.744 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.150 6.832 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.093 5.323 6.119 1.00 0.00 H new ATOM 1040 N SER A 66 -9.710 4.534 1.866 1.00 0.00 N ATOM 1041 CA SER A 66 -10.039 4.691 0.454 1.00 0.00 C ATOM 1042 C SER A 66 -9.634 6.087 -0.028 1.00 0.00 C ATOM 1043 O SER A 66 -9.062 6.238 -1.105 1.00 0.00 O ATOM 1044 CB SER A 66 -11.548 4.454 0.238 1.00 0.00 C ATOM 1045 OG SER A 66 -11.727 3.455 -0.758 1.00 0.00 O ATOM 0 H SER A 66 -10.505 4.613 2.500 1.00 0.00 H new ATOM 0 HA SER A 66 -9.486 3.954 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.016 4.142 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.034 5.381 -0.068 1.00 0.00 H new ATOM 0 HG SER A 66 -12.685 3.300 -0.897 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.922 7.104 0.747 1.00 0.00 N ATOM 1052 CA PRO A 67 -9.581 8.513 0.385 1.00 0.00 C ATOM 1053 C PRO A 67 -8.074 8.718 0.226 1.00 0.00 C ATOM 1054 O PRO A 67 -7.291 8.305 1.082 1.00 0.00 O ATOM 1055 CB PRO A 67 -10.140 9.345 1.562 1.00 0.00 C ATOM 1056 CG PRO A 67 -11.123 8.448 2.249 1.00 0.00 C ATOM 1057 CD PRO A 67 -10.600 7.030 2.050 1.00 0.00 C ATOM 0 HA PRO A 67 -10.004 8.802 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.344 9.649 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.621 10.256 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.200 8.691 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.120 8.561 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.914 6.738 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.409 6.299 2.043 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.673 9.364 -0.868 1.00 0.00 N ATOM 1066 CA CYS A 68 -6.256 9.629 -1.126 1.00 0.00 C ATOM 1067 C CYS A 68 -6.063 11.072 -1.589 1.00 0.00 C ATOM 1068 O CYS A 68 -5.293 11.829 -0.996 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.725 8.656 -2.189 1.00 0.00 C ATOM 1070 SG CYS A 68 -6.566 7.062 -2.016 1.00 0.00 S ATOM 0 H CYS A 68 -8.306 9.713 -1.588 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.697 9.482 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.893 9.062 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.649 8.527 -2.075 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.845 7.257 -1.894 1.00 0.00 H new ATOM 1076 N LYS A 69 -6.774 11.444 -2.649 1.00 0.00 N ATOM 1077 CA LYS A 69 -6.683 12.796 -3.193 1.00 0.00 C ATOM 1078 C LYS A 69 -7.267 13.812 -2.216 1.00 0.00 C ATOM 1079 O LYS A 69 -7.052 15.016 -2.356 1.00 0.00 O ATOM 1080 CB LYS A 69 -7.436 12.870 -4.524 1.00 0.00 C ATOM 1081 CG LYS A 69 -8.938 12.671 -4.289 1.00 0.00 C ATOM 1082 CD LYS A 69 -9.660 12.530 -5.636 1.00 0.00 C ATOM 1083 CE LYS A 69 -9.647 13.863 -6.390 1.00 0.00 C ATOM 1084 NZ LYS A 69 -10.647 13.810 -7.497 1.00 0.00 N ATOM 0 H LYS A 69 -7.418 10.830 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.631 13.034 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.259 13.835 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.062 12.106 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.106 11.782 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.344 13.517 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.176 11.760 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.688 12.207 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.883 14.682 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.652 14.058 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.642 14.713 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.402 13.038 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.594 13.642 -7.102 1.00 0.00 H new ATOM 1098 N GLU A 70 -8.010 13.320 -1.233 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.625 14.196 -0.245 1.00 0.00 C ATOM 1100 C GLU A 70 -7.585 14.680 0.760 1.00 0.00 C ATOM 1101 O GLU A 70 -7.928 15.228 1.806 1.00 0.00 O ATOM 1102 CB GLU A 70 -9.740 13.446 0.489 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.860 13.091 -0.494 1.00 0.00 C ATOM 1104 CD GLU A 70 -11.533 14.359 -1.006 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -11.404 15.380 -0.350 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -12.165 14.293 -2.046 1.00 0.00 O ATOM 0 H GLU A 70 -8.200 12.327 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.045 15.061 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.342 12.539 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.134 14.062 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.453 12.523 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.595 12.453 -0.004 1.00 0.00 H new ATOM 1113 N HIS A 71 -6.309 14.474 0.432 1.00 0.00 N ATOM 1114 CA HIS A 71 -5.213 14.893 1.311 1.00 0.00 C ATOM 1115 C HIS A 71 -4.222 15.764 0.548 1.00 0.00 C ATOM 1116 O HIS A 71 -3.297 15.258 -0.090 1.00 0.00 O ATOM 1117 CB HIS A 71 -4.494 13.661 1.863 1.00 0.00 C ATOM 1118 CG HIS A 71 -5.421 12.908 2.774 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -5.688 13.324 4.067 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -6.153 11.759 2.594 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -6.546 12.443 4.610 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -6.862 11.468 3.753 1.00 0.00 N ATOM 0 H HIS A 71 -6.008 14.022 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.629 15.473 2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.170 13.018 1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.598 13.962 2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.174 11.171 1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.933 12.515 5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.489 10.680 3.915 1.00 0.00 H new ATOM 1130 N ASP A 72 -4.419 17.075 0.620 1.00 0.00 N ATOM 1131 CA ASP A 72 -3.539 18.013 -0.068 1.00 0.00 C ATOM 1132 C ASP A 72 -2.117 17.900 0.468 1.00 0.00 C ATOM 1133 O ASP A 72 -1.149 18.053 -0.276 1.00 0.00 O ATOM 1134 CB ASP A 72 -4.049 19.441 0.126 1.00 0.00 C ATOM 1135 CG ASP A 72 -3.208 20.412 -0.696 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -2.214 19.976 -1.253 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -3.571 21.574 -0.759 1.00 0.00 O ATOM 0 H ASP A 72 -5.177 17.512 1.145 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.535 17.770 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.094 19.507 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.004 19.712 1.181 1.00 0.00 H new ATOM 1142 N VAL A 73 -1.999 17.631 1.764 1.00 0.00 N ATOM 1143 CA VAL A 73 -0.692 17.499 2.389 1.00 0.00 C ATOM 1144 C VAL A 73 0.086 16.349 1.752 1.00 0.00 C ATOM 1145 O VAL A 73 1.266 16.486 1.431 1.00 0.00 O ATOM 1146 CB VAL A 73 -0.857 17.245 3.891 1.00 0.00 C ATOM 1147 CG1 VAL A 73 0.512 16.987 4.523 1.00 0.00 C ATOM 1148 CG2 VAL A 73 -1.497 18.471 4.550 1.00 0.00 C ATOM 0 H VAL A 73 -2.788 17.501 2.397 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.136 18.425 2.240 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.496 16.374 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.391 16.807 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.969 16.114 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.152 17.856 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.614 18.290 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.858 19.341 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.474 18.655 4.104 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.586 15.215 1.568 1.00 0.00 N ATOM 1159 CA ILE A 74 0.046 14.044 0.960 1.00 0.00 C ATOM 1160 C ILE A 74 0.141 14.207 -0.554 1.00 0.00 C ATOM 1161 O ILE A 74 1.237 14.208 -1.115 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.761 12.791 1.286 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.984 12.707 2.797 1.00 0.00 C ATOM 1164 CG2 ILE A 74 0.029 11.565 0.831 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.917 11.537 3.116 1.00 0.00 C ATOM 0 H ILE A 74 -1.563 15.081 1.829 1.00 0.00 H new ATOM 0 HA ILE A 74 1.053 13.948 1.367 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.724 12.830 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.031 12.574 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.415 13.639 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.538 10.662 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.203 11.623 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.986 11.534 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.074 11.480 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.874 11.689 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.468 10.608 2.765 1.00 0.00 H new ATOM 1177 N GLY A 75 -1.016 14.354 -1.196 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.070 14.516 -2.653 1.00 0.00 C ATOM 1179 C GLY A 75 -0.174 13.493 -3.341 1.00 0.00 C ATOM 1180 O GLY A 75 0.511 12.712 -2.680 1.00 0.00 O ATOM 0 H GLY A 75 -1.926 14.365 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.097 14.399 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.755 15.524 -2.924 1.00 0.00 H new ATOM 1184 N THR A 76 -0.199 13.477 -4.669 1.00 0.00 N ATOM 1185 CA THR A 76 0.607 12.521 -5.425 1.00 0.00 C ATOM 1186 C THR A 76 0.188 11.084 -5.101 1.00 0.00 C ATOM 1187 O THR A 76 0.422 10.171 -5.892 1.00 0.00 O ATOM 1188 CB THR A 76 2.093 12.700 -5.091 1.00 0.00 C ATOM 1189 OG1 THR A 76 2.416 14.083 -5.074 1.00 0.00 O ATOM 1190 CG2 THR A 76 2.946 11.989 -6.144 1.00 0.00 C ATOM 0 H THR A 76 -0.762 14.107 -5.241 1.00 0.00 H new ATOM 0 HA THR A 76 0.446 12.709 -6.487 1.00 0.00 H new ATOM 0 HB THR A 76 2.295 12.269 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.366 14.195 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.002 12.118 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.703 10.927 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.742 12.416 -7.126 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.422 10.889 -3.930 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.854 9.567 -3.502 1.00 0.00 C ATOM 1200 C LYS A 77 -1.790 8.967 -4.540 1.00 0.00 C ATOM 1201 O LYS A 77 -1.513 7.925 -5.122 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.579 9.686 -2.137 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.121 8.571 -1.196 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.118 8.370 -0.053 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.534 7.379 0.959 1.00 0.00 C ATOM 1206 NZ LYS A 77 -1.308 6.059 0.298 1.00 0.00 N ATOM 0 H LYS A 77 -0.626 11.634 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 77 0.013 8.915 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.370 10.658 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.658 9.628 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.012 7.642 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.140 8.815 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.328 9.323 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.064 7.995 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.595 7.762 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.214 7.262 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.058 5.350 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.176 5.763 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.533 6.144 -0.390 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.918 9.628 -4.732 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.917 9.150 -5.669 1.00 0.00 C ATOM 1222 C VAL A 78 -3.277 8.894 -7.029 1.00 0.00 C ATOM 1223 O VAL A 78 -3.667 7.976 -7.751 1.00 0.00 O ATOM 1224 CB VAL A 78 -5.031 10.197 -5.783 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -4.610 11.323 -6.737 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -6.306 9.531 -6.312 1.00 0.00 C ATOM 0 H VAL A 78 -3.164 10.494 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.341 8.211 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.218 10.621 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.411 12.059 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.708 11.804 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.411 10.908 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.098 10.275 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.111 9.100 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.617 8.743 -5.626 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.283 9.703 -7.358 1.00 0.00 N ATOM 1237 CA CYS A 79 -1.582 9.551 -8.622 1.00 0.00 C ATOM 1238 C CYS A 79 -0.769 8.254 -8.633 1.00 0.00 C ATOM 1239 O CYS A 79 -0.868 7.450 -9.562 1.00 0.00 O ATOM 1240 CB CYS A 79 -0.664 10.762 -8.831 1.00 0.00 C ATOM 1241 SG CYS A 79 -0.528 11.129 -10.596 1.00 0.00 S ATOM 0 H CYS A 79 -1.945 10.466 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.306 9.499 -9.435 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.061 11.627 -8.300 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.323 10.558 -8.415 1.00 0.00 H new ATOM 0 HG CYS A 79 0.249 12.157 -10.767 1.00 0.00 H new ATOM 1247 N ALA A 80 0.032 8.058 -7.587 1.00 0.00 N ATOM 1248 CA ALA A 80 0.857 6.860 -7.481 1.00 0.00 C ATOM 1249 C ALA A 80 -0.011 5.613 -7.339 1.00 0.00 C ATOM 1250 O ALA A 80 0.282 4.568 -7.921 1.00 0.00 O ATOM 1251 CB ALA A 80 1.783 6.984 -6.272 1.00 0.00 C ATOM 0 H ALA A 80 0.126 8.709 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 80 1.449 6.764 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.400 6.089 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.424 7.857 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.186 7.095 -5.367 1.00 0.00 H new ATOM 1257 N LEU A 81 -1.076 5.735 -6.559 1.00 0.00 N ATOM 1258 CA LEU A 81 -1.989 4.624 -6.340 1.00 0.00 C ATOM 1259 C LEU A 81 -2.645 4.219 -7.657 1.00 0.00 C ATOM 1260 O LEU A 81 -2.784 3.032 -7.954 1.00 0.00 O ATOM 1261 CB LEU A 81 -3.063 5.032 -5.330 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.440 5.230 -3.939 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -3.454 5.939 -3.037 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -2.068 3.875 -3.314 1.00 0.00 C ATOM 0 H LEU A 81 -1.328 6.593 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.429 3.775 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.545 5.954 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.838 4.266 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.535 5.829 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.021 6.084 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.709 6.907 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.355 5.331 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.629 4.037 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.964 3.262 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.348 3.365 -3.954 1.00 0.00 H new ATOM 1276 N LEU A 82 -3.042 5.212 -8.448 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.670 4.936 -9.734 1.00 0.00 C ATOM 1278 C LEU A 82 -2.687 4.205 -10.642 1.00 0.00 C ATOM 1279 O LEU A 82 -3.046 3.237 -11.313 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.116 6.245 -10.395 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.810 5.958 -11.737 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -6.063 5.094 -11.518 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -5.201 7.291 -12.385 1.00 0.00 C ATOM 0 H LEU A 82 -2.941 6.202 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.545 4.307 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.797 6.780 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.253 6.891 -10.555 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.128 5.413 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.543 4.900 -12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.777 4.149 -11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.758 5.621 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.694 7.101 -13.338 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.881 7.831 -11.726 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.306 7.890 -12.553 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.444 4.676 -10.659 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.421 4.056 -11.493 1.00 0.00 C ATOM 1297 C ASP A 83 -0.255 2.585 -11.120 1.00 0.00 C ATOM 1298 O ASP A 83 -0.220 1.715 -11.992 1.00 0.00 O ATOM 1299 CB ASP A 83 0.909 4.785 -11.324 1.00 0.00 C ATOM 1300 CG ASP A 83 1.893 4.332 -12.398 1.00 0.00 C ATOM 1301 OD1 ASP A 83 1.725 3.232 -12.901 1.00 0.00 O ATOM 1302 OD2 ASP A 83 2.796 5.090 -12.703 1.00 0.00 O ATOM 0 H ASP A 83 -1.124 5.475 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.734 4.124 -12.535 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.754 5.862 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.320 4.584 -10.335 1.00 0.00 H new ATOM 1307 N ARG A 84 -0.164 2.311 -9.825 1.00 0.00 N ATOM 1308 CA ARG A 84 -0.017 0.939 -9.354 1.00 0.00 C ATOM 1309 C ARG A 84 -1.258 0.119 -9.684 1.00 0.00 C ATOM 1310 O ARG A 84 -1.164 -1.063 -10.010 1.00 0.00 O ATOM 1311 CB ARG A 84 0.224 0.918 -7.847 1.00 0.00 C ATOM 1312 CG ARG A 84 1.631 1.436 -7.548 1.00 0.00 C ATOM 1313 CD ARG A 84 1.881 1.391 -6.041 1.00 0.00 C ATOM 1314 NE ARG A 84 3.304 1.569 -5.765 1.00 0.00 N ATOM 1315 CZ ARG A 84 3.841 2.778 -5.656 1.00 0.00 C ATOM 1316 NH1 ARG A 84 3.096 3.838 -5.797 1.00 0.00 N ATOM 1317 NH2 ARG A 84 5.119 2.905 -5.411 1.00 0.00 N ATOM 0 H ARG A 84 -0.189 3.014 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 84 0.841 0.498 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.518 1.536 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.109 -0.096 -7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.372 0.829 -8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.740 2.456 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.305 2.173 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.540 0.438 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 84 3.898 0.747 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.100 3.739 -5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.509 4.767 -5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.703 2.075 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.532 3.834 -5.327 1.00 0.00 H new ATOM 1331 N LEU A 85 -2.424 0.754 -9.597 1.00 0.00 N ATOM 1332 CA LEU A 85 -3.678 0.070 -9.886 1.00 0.00 C ATOM 1333 C LEU A 85 -3.693 -0.417 -11.329 1.00 0.00 C ATOM 1334 O LEU A 85 -4.200 -1.500 -11.621 1.00 0.00 O ATOM 1335 CB LEU A 85 -4.866 1.015 -9.651 1.00 0.00 C ATOM 1336 CG LEU A 85 -6.190 0.322 -10.016 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -6.354 -0.979 -9.215 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -7.353 1.270 -9.703 1.00 0.00 C ATOM 0 H LEU A 85 -2.525 1.733 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.765 -0.787 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.888 1.327 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.744 1.917 -10.251 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.185 0.077 -11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.296 -1.456 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.527 -1.652 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.355 -0.752 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.296 0.786 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.347 1.515 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.244 2.184 -10.286 1.00 0.00 H new ATOM 1350 N ALA A 86 -3.139 0.387 -12.229 1.00 0.00 N ATOM 1351 CA ALA A 86 -3.111 0.020 -13.637 1.00 0.00 C ATOM 1352 C ALA A 86 -2.380 -1.304 -13.825 1.00 0.00 C ATOM 1353 O ALA A 86 -2.619 -2.023 -14.795 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.413 1.111 -14.447 1.00 0.00 C ATOM 0 H ALA A 86 -2.709 1.286 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.137 -0.089 -13.988 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.396 0.828 -15.500 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.953 2.051 -14.332 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.391 1.233 -14.088 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.495 -1.625 -12.891 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.744 -2.869 -12.967 1.00 0.00 C ATOM 1362 C GLY A 87 0.337 -2.923 -11.896 1.00 0.00 C ATOM 1363 O GLY A 87 0.285 -3.754 -10.991 1.00 0.00 O ATOM 0 H GLY A 87 -1.281 -1.046 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.422 -3.714 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.289 -2.963 -13.953 1.00 0.00 H new ATOM 1367 N ASP A 88 1.311 -2.024 -12.006 1.00 0.00 N ATOM 1368 CA ASP A 88 2.407 -1.973 -11.040 1.00 0.00 C ATOM 1369 C ASP A 88 3.306 -0.773 -11.318 1.00 0.00 C ATOM 1370 O ASP A 88 3.067 -0.007 -12.251 1.00 0.00 O ATOM 1371 CB ASP A 88 3.236 -3.258 -11.113 1.00 0.00 C ATOM 1372 CG ASP A 88 3.858 -3.400 -12.497 1.00 0.00 C ATOM 1373 OD1 ASP A 88 3.553 -2.581 -13.350 1.00 0.00 O ATOM 1374 OD2 ASP A 88 4.629 -4.326 -12.685 1.00 0.00 O ATOM 0 H ASP A 88 1.365 -1.326 -12.748 1.00 0.00 H new ATOM 0 HA ASP A 88 1.980 -1.875 -10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.018 -3.239 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.605 -4.120 -10.899 1.00 0.00 H new ATOM 1379 N TYR A 89 4.346 -0.624 -10.505 1.00 0.00 N ATOM 1380 CA TYR A 89 5.284 0.482 -10.673 1.00 0.00 C ATOM 1381 C TYR A 89 6.620 0.156 -10.015 1.00 0.00 C ATOM 1382 O TYR A 89 7.630 -0.029 -10.695 1.00 0.00 O ATOM 1383 CB TYR A 89 4.714 1.755 -10.051 1.00 0.00 C ATOM 1384 CG TYR A 89 5.642 2.913 -10.340 1.00 0.00 C ATOM 1385 CD1 TYR A 89 6.771 3.124 -9.543 1.00 0.00 C ATOM 1386 CD2 TYR A 89 5.369 3.776 -11.409 1.00 0.00 C ATOM 1387 CE1 TYR A 89 7.630 4.195 -9.812 1.00 0.00 C ATOM 1388 CE2 TYR A 89 6.226 4.849 -11.678 1.00 0.00 C ATOM 1389 CZ TYR A 89 7.357 5.058 -10.878 1.00 0.00 C ATOM 1390 OH TYR A 89 8.202 6.118 -11.144 1.00 0.00 O ATOM 0 H TYR A 89 4.561 -1.249 -9.728 1.00 0.00 H new ATOM 0 HA TYR A 89 5.440 0.636 -11.741 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.723 1.959 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.598 1.627 -8.975 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.980 2.459 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.497 3.613 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.503 4.355 -9.197 1.00 0.00 H new ATOM 0 HE2 TYR A 89 6.016 5.515 -12.502 1.00 0.00 H new ATOM 0 HH TYR A 89 7.867 6.617 -11.918 1.00 0.00 H new ATOM 1400 N VAL A 90 6.619 0.099 -8.685 1.00 0.00 N ATOM 1401 CA VAL A 90 7.836 -0.194 -7.938 1.00 0.00 C ATOM 1402 C VAL A 90 8.139 -1.688 -7.961 1.00 0.00 C ATOM 1403 O VAL A 90 7.246 -2.511 -8.168 1.00 0.00 O ATOM 1404 CB VAL A 90 7.693 0.298 -6.491 1.00 0.00 C ATOM 1405 CG1 VAL A 90 6.772 -0.641 -5.705 1.00 0.00 C ATOM 1406 CG2 VAL A 90 9.069 0.329 -5.824 1.00 0.00 C ATOM 0 H VAL A 90 5.793 0.251 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 90 8.667 0.329 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 90 7.263 1.300 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.677 -0.283 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.788 -0.663 -6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.194 -1.646 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.967 0.678 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.497 -0.674 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.725 1.004 -6.374 1.00 0.00 H new ATOM 1416 N TYR A 91 9.407 -2.028 -7.749 1.00 0.00 N ATOM 1417 CA TYR A 91 9.835 -3.426 -7.747 1.00 0.00 C ATOM 1418 C TYR A 91 10.931 -3.654 -6.715 1.00 0.00 C ATOM 1419 O TYR A 91 11.637 -2.728 -6.318 1.00 0.00 O ATOM 1420 CB TYR A 91 10.311 -3.821 -9.151 1.00 0.00 C ATOM 1421 CG TYR A 91 11.122 -2.694 -9.744 1.00 0.00 C ATOM 1422 CD1 TYR A 91 10.463 -1.567 -10.250 1.00 0.00 C ATOM 1423 CD2 TYR A 91 12.520 -2.765 -9.797 1.00 0.00 C ATOM 1424 CE1 TYR A 91 11.192 -0.513 -10.803 1.00 0.00 C ATOM 1425 CE2 TYR A 91 13.251 -1.709 -10.353 1.00 0.00 C ATOM 1426 CZ TYR A 91 12.589 -0.584 -10.856 1.00 0.00 C ATOM 1427 OH TYR A 91 13.312 0.459 -11.399 1.00 0.00 O ATOM 0 H TYR A 91 10.156 -1.357 -7.577 1.00 0.00 H new ATOM 0 HA TYR A 91 8.989 -4.056 -7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.913 -4.729 -9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.455 -4.041 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.385 -1.513 -10.212 1.00 0.00 H new ATOM 0 HD2 TYR A 91 13.033 -3.633 -9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.679 0.356 -11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 91 14.329 -1.763 -10.394 1.00 0.00 H new ATOM 0 HH TYR A 91 13.282 1.228 -10.793 1.00 0.00 H new ATOM 1437 N LEU A 92 11.045 -4.895 -6.256 1.00 0.00 N ATOM 1438 CA LEU A 92 12.032 -5.253 -5.239 1.00 0.00 C ATOM 1439 C LEU A 92 12.894 -6.403 -5.726 1.00 0.00 C ATOM 1440 O LEU A 92 12.474 -7.199 -6.567 1.00 0.00 O ATOM 1441 CB LEU A 92 11.297 -5.648 -3.942 1.00 0.00 C ATOM 1442 CG LEU A 92 10.654 -7.049 -4.070 1.00 0.00 C ATOM 1443 CD1 LEU A 92 11.562 -8.135 -3.456 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.302 -7.069 -3.336 1.00 0.00 C ATOM 0 H LEU A 92 10.466 -5.673 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 92 12.680 -4.399 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.998 -5.641 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.527 -4.910 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 92 10.515 -7.258 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.085 -9.110 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.521 -8.143 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.722 -7.921 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.852 -8.058 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.457 -6.838 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.638 -6.326 -3.777 1.00 0.00 H new ATOM 1456 N PHE A 93 14.104 -6.491 -5.189 1.00 0.00 N ATOM 1457 CA PHE A 93 15.024 -7.559 -5.571 1.00 0.00 C ATOM 1458 C PHE A 93 15.948 -7.894 -4.406 1.00 0.00 C ATOM 1459 O PHE A 93 16.301 -7.022 -3.613 1.00 0.00 O ATOM 1460 CB PHE A 93 15.843 -7.144 -6.796 1.00 0.00 C ATOM 1461 CG PHE A 93 16.660 -5.918 -6.467 1.00 0.00 C ATOM 1462 CD1 PHE A 93 16.092 -4.644 -6.590 1.00 0.00 C ATOM 1463 CD2 PHE A 93 17.981 -6.055 -6.035 1.00 0.00 C ATOM 1464 CE1 PHE A 93 16.849 -3.509 -6.278 1.00 0.00 C ATOM 1465 CE2 PHE A 93 18.739 -4.922 -5.722 1.00 0.00 C ATOM 1466 CZ PHE A 93 18.174 -3.648 -5.845 1.00 0.00 C ATOM 0 H PHE A 93 14.471 -5.842 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 93 14.444 -8.446 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 93 16.499 -7.959 -7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 93 15.180 -6.937 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 93 15.071 -4.537 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 93 18.418 -7.038 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 93 16.412 -2.526 -6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 93 19.760 -5.030 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 93 18.759 -2.772 -5.606 1.00 0.00 H new ATOM 1476 N ASP A 94 16.330 -9.161 -4.309 1.00 0.00 N ATOM 1477 CA ASP A 94 17.209 -9.607 -3.233 1.00 0.00 C ATOM 1478 C ASP A 94 18.660 -9.281 -3.558 1.00 0.00 C ATOM 1479 O ASP A 94 18.986 -8.925 -4.690 1.00 0.00 O ATOM 1480 CB ASP A 94 17.057 -11.112 -3.024 1.00 0.00 C ATOM 1481 CG ASP A 94 15.653 -11.431 -2.526 1.00 0.00 C ATOM 1482 OD1 ASP A 94 14.996 -10.521 -2.043 1.00 0.00 O ATOM 1483 OD2 ASP A 94 15.254 -12.578 -2.637 1.00 0.00 O ATOM 0 H ASP A 94 16.047 -9.895 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 94 16.927 -9.084 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 94 17.248 -11.638 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 94 17.796 -11.464 -2.304 1.00 0.00 H new ATOM 1488 N GLU A 95 19.526 -9.406 -2.562 1.00 0.00 N ATOM 1489 CA GLU A 95 20.942 -9.119 -2.754 1.00 0.00 C ATOM 1490 C GLU A 95 21.487 -9.893 -3.956 1.00 0.00 C ATOM 1491 O GLU A 95 22.611 -9.661 -4.397 1.00 0.00 O ATOM 1492 CB GLU A 95 21.728 -9.505 -1.498 1.00 0.00 C ATOM 1493 CG GLU A 95 21.286 -8.622 -0.326 1.00 0.00 C ATOM 1494 CD GLU A 95 22.055 -9.004 0.933 1.00 0.00 C ATOM 1495 OE1 GLU A 95 22.926 -9.853 0.837 1.00 0.00 O ATOM 1496 OE2 GLU A 95 21.759 -8.444 1.974 1.00 0.00 O ATOM 0 H GLU A 95 19.276 -9.702 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 95 21.056 -8.051 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.560 -10.555 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.797 -9.385 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.460 -7.573 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.215 -8.737 -0.157 1.00 0.00 H new ATOM 1503 N GLY A 96 20.675 -10.810 -4.481 1.00 0.00 N ATOM 1504 CA GLY A 96 21.080 -11.614 -5.637 1.00 0.00 C ATOM 1505 C GLY A 96 20.685 -10.929 -6.939 1.00 0.00 C ATOM 1506 O GLY A 96 21.530 -10.376 -7.641 1.00 0.00 O ATOM 0 H GLY A 96 19.740 -11.015 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.158 -11.771 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.614 -12.598 -5.583 1.00 0.00 H new ATOM 1510 N GLY A 97 19.396 -10.964 -7.256 1.00 0.00 N ATOM 1511 CA GLY A 97 18.905 -10.336 -8.477 1.00 0.00 C ATOM 1512 C GLY A 97 17.545 -10.894 -8.870 1.00 0.00 C ATOM 1513 O GLY A 97 16.743 -10.210 -9.506 1.00 0.00 O ATOM 0 H GLY A 97 18.678 -11.416 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.831 -9.258 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.617 -10.500 -9.286 1.00 0.00 H new ATOM 1517 N ASP A 98 17.294 -12.138 -8.490 1.00 0.00 N ATOM 1518 CA ASP A 98 16.026 -12.781 -8.808 1.00 0.00 C ATOM 1519 C ASP A 98 14.896 -12.140 -8.005 1.00 0.00 C ATOM 1520 O ASP A 98 15.050 -11.858 -6.817 1.00 0.00 O ATOM 1521 CB ASP A 98 16.113 -14.276 -8.486 1.00 0.00 C ATOM 1522 CG ASP A 98 16.889 -15.011 -9.580 1.00 0.00 C ATOM 1523 OD1 ASP A 98 17.212 -14.383 -10.577 1.00 0.00 O ATOM 1524 OD2 ASP A 98 17.148 -16.190 -9.403 1.00 0.00 O ATOM 0 H ASP A 98 17.946 -12.720 -7.964 1.00 0.00 H new ATOM 0 HA ASP A 98 15.818 -12.653 -9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 98 16.604 -14.420 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.111 -14.695 -8.398 1.00 0.00 H new ATOM 1529 N GLU A 99 13.758 -11.916 -8.658 1.00 0.00 N ATOM 1530 CA GLU A 99 12.614 -11.310 -7.987 1.00 0.00 C ATOM 1531 C GLU A 99 11.934 -12.325 -7.076 1.00 0.00 C ATOM 1532 O GLU A 99 11.024 -13.041 -7.493 1.00 0.00 O ATOM 1533 CB GLU A 99 11.612 -10.804 -9.026 1.00 0.00 C ATOM 1534 CG GLU A 99 12.214 -9.622 -9.788 1.00 0.00 C ATOM 1535 CD GLU A 99 11.262 -9.174 -10.890 1.00 0.00 C ATOM 1536 OE1 GLU A 99 10.203 -9.770 -11.008 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.604 -8.243 -11.600 1.00 0.00 O ATOM 0 H GLU A 99 13.605 -12.143 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 99 12.967 -10.474 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.357 -11.605 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.687 -10.500 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.405 -8.796 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.174 -9.907 -10.219 1.00 0.00 H new ATOM 1544 N VAL A 100 12.384 -12.379 -5.825 1.00 0.00 N ATOM 1545 CA VAL A 100 11.817 -13.308 -4.848 1.00 0.00 C ATOM 1546 C VAL A 100 11.867 -12.712 -3.444 1.00 0.00 C ATOM 1547 O VAL A 100 12.763 -11.934 -3.122 1.00 0.00 O ATOM 1548 CB VAL A 100 12.588 -14.635 -4.881 1.00 0.00 C ATOM 1549 CG1 VAL A 100 13.969 -14.457 -4.246 1.00 0.00 C ATOM 1550 CG2 VAL A 100 11.802 -15.693 -4.103 1.00 0.00 C ATOM 0 H VAL A 100 13.137 -11.793 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 100 10.774 -13.490 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 100 12.712 -14.952 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.507 -15.404 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.530 -13.704 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.855 -14.136 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.345 -16.638 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.678 -15.368 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.822 -15.828 -4.561 1.00 0.00 H new ATOM 1560 N ILE A 101 10.903 -13.093 -2.615 1.00 0.00 N ATOM 1561 CA ILE A 101 10.850 -12.599 -1.243 1.00 0.00 C ATOM 1562 C ILE A 101 11.771 -13.426 -0.353 1.00 0.00 C ATOM 1563 O ILE A 101 11.710 -14.656 -0.356 1.00 0.00 O ATOM 1564 CB ILE A 101 9.415 -12.679 -0.715 1.00 0.00 C ATOM 1565 CG1 ILE A 101 8.531 -11.693 -1.489 1.00 0.00 C ATOM 1566 CG2 ILE A 101 9.396 -12.319 0.773 1.00 0.00 C ATOM 1567 CD1 ILE A 101 8.435 -12.102 -2.968 1.00 0.00 C ATOM 0 H ILE A 101 10.153 -13.737 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 101 11.180 -11.560 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 101 9.035 -13.692 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.535 -11.665 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.943 -10.687 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.374 -12.376 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.025 -13.018 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.776 -11.306 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.804 -11.391 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.431 -12.106 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.001 -13.099 -3.042 1.00 0.00 H new ATOM 1579 N ALA A 102 12.626 -12.748 0.409 1.00 0.00 N ATOM 1580 CA ALA A 102 13.556 -13.443 1.299 1.00 0.00 C ATOM 1581 C ALA A 102 13.832 -12.594 2.549 1.00 0.00 C ATOM 1582 O ALA A 102 13.467 -11.420 2.601 1.00 0.00 O ATOM 1583 CB ALA A 102 14.869 -13.737 0.535 1.00 0.00 C ATOM 0 H ALA A 102 12.695 -11.731 0.430 1.00 0.00 H new ATOM 0 HA ALA A 102 13.114 -14.385 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 102 15.565 -14.255 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 102 14.654 -14.364 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.314 -12.799 0.202 1.00 0.00 H new ATOM 1589 N PRO A 103 14.477 -13.163 3.541 1.00 0.00 N ATOM 1590 CA PRO A 103 14.815 -12.436 4.806 1.00 0.00 C ATOM 1591 C PRO A 103 15.406 -11.049 4.547 1.00 0.00 C ATOM 1592 O PRO A 103 15.030 -10.072 5.195 1.00 0.00 O ATOM 1593 CB PRO A 103 15.867 -13.347 5.459 1.00 0.00 C ATOM 1594 CG PRO A 103 15.535 -14.725 4.978 1.00 0.00 C ATOM 1595 CD PRO A 103 14.939 -14.563 3.576 1.00 0.00 C ATOM 0 HA PRO A 103 13.933 -12.257 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.876 -13.059 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.822 -13.286 6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.426 -15.352 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.825 -15.209 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.682 -14.757 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.116 -15.259 3.410 1.00 0.00 H new ATOM 1603 N ARG A 104 16.338 -10.978 3.600 1.00 0.00 N ATOM 1604 CA ARG A 104 16.997 -9.719 3.250 1.00 0.00 C ATOM 1605 C ARG A 104 16.505 -9.217 1.901 1.00 0.00 C ATOM 1606 O ARG A 104 17.165 -9.404 0.878 1.00 0.00 O ATOM 1607 CB ARG A 104 18.502 -9.951 3.187 1.00 0.00 C ATOM 1608 CG ARG A 104 19.015 -10.266 4.589 1.00 0.00 C ATOM 1609 CD ARG A 104 20.427 -10.837 4.496 1.00 0.00 C ATOM 1610 NE ARG A 104 21.342 -9.857 3.917 1.00 0.00 N ATOM 1611 CZ ARG A 104 21.956 -8.952 4.676 1.00 0.00 C ATOM 1612 NH1 ARG A 104 21.736 -8.920 5.963 1.00 0.00 N ATOM 1613 NH2 ARG A 104 22.777 -8.096 4.133 1.00 0.00 N ATOM 0 H ARG A 104 16.656 -11.781 3.058 1.00 0.00 H new ATOM 0 HA ARG A 104 16.762 -8.970 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 104 18.728 -10.774 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.003 -9.067 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 104 19.016 -9.363 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.353 -10.981 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 104 20.775 -11.125 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.420 -11.740 3.886 1.00 0.00 H new ATOM 0 HE ARG A 104 21.514 -9.866 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 104 21.093 -9.589 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 104 22.207 -8.226 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.948 -8.120 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.248 -7.402 4.714 1.00 0.00 H new ATOM 1627 N MET A 105 15.339 -8.580 1.908 1.00 0.00 N ATOM 1628 CA MET A 105 14.749 -8.048 0.683 1.00 0.00 C ATOM 1629 C MET A 105 14.919 -6.538 0.630 1.00 0.00 C ATOM 1630 O MET A 105 15.147 -5.892 1.652 1.00 0.00 O ATOM 1631 CB MET A 105 13.257 -8.406 0.627 1.00 0.00 C ATOM 1632 CG MET A 105 12.488 -7.605 1.684 1.00 0.00 C ATOM 1633 SD MET A 105 10.785 -8.214 1.797 1.00 0.00 S ATOM 1634 CE MET A 105 10.164 -6.967 2.960 1.00 0.00 C ATOM 0 H MET A 105 14.783 -8.419 2.748 1.00 0.00 H new ATOM 0 HA MET A 105 15.258 -8.490 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 105 12.860 -8.191 -0.365 1.00 0.00 H new ATOM 0 HB3 MET A 105 13.124 -9.474 0.799 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.981 -7.695 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.489 -6.547 1.423 1.00 0.00 H new ATOM 0 HE1 MET A 105 9.991 -7.430 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 105 10.899 -6.169 3.064 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.229 -6.552 2.584 1.00 0.00 H new ATOM 1644 N TYR A 106 14.794 -5.977 -0.566 1.00 0.00 N ATOM 1645 CA TYR A 106 14.918 -4.536 -0.748 1.00 0.00 C ATOM 1646 C TYR A 106 13.907 -4.060 -1.785 1.00 0.00 C ATOM 1647 O TYR A 106 13.991 -4.422 -2.963 1.00 0.00 O ATOM 1648 CB TYR A 106 16.346 -4.180 -1.183 1.00 0.00 C ATOM 1649 CG TYR A 106 16.395 -2.744 -1.664 1.00 0.00 C ATOM 1650 CD1 TYR A 106 16.231 -1.694 -0.756 1.00 0.00 C ATOM 1651 CD2 TYR A 106 16.598 -2.470 -3.021 1.00 0.00 C ATOM 1652 CE1 TYR A 106 16.266 -0.367 -1.207 1.00 0.00 C ATOM 1653 CE2 TYR A 106 16.637 -1.145 -3.475 1.00 0.00 C ATOM 1654 CZ TYR A 106 16.470 -0.092 -2.566 1.00 0.00 C ATOM 1655 OH TYR A 106 16.500 1.213 -3.010 1.00 0.00 O ATOM 0 H TYR A 106 14.607 -6.497 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 106 14.712 -4.035 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 106 17.034 -4.317 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 106 16.671 -4.851 -1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 106 16.077 -1.905 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 106 16.725 -3.283 -3.721 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.136 0.444 -0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.795 -0.936 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 106 16.072 1.794 -2.347 1.00 0.00 H new ATOM 1665 N CYS A 107 12.943 -3.252 -1.330 1.00 0.00 N ATOM 1666 CA CYS A 107 11.905 -2.726 -2.216 1.00 0.00 C ATOM 1667 C CYS A 107 12.183 -1.282 -2.579 1.00 0.00 C ATOM 1668 O CYS A 107 12.412 -0.443 -1.705 1.00 0.00 O ATOM 1669 CB CYS A 107 10.524 -2.846 -1.558 1.00 0.00 C ATOM 1670 SG CYS A 107 10.282 -1.502 -0.367 1.00 0.00 S ATOM 0 H CYS A 107 12.862 -2.951 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 107 11.913 -3.319 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.745 -2.811 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.435 -3.809 -1.055 1.00 0.00 H new ATOM 0 HG CYS A 107 10.404 -1.966 0.841 1.00 0.00 H new ATOM 1676 N SER A 108 12.154 -0.997 -3.880 1.00 0.00 N ATOM 1677 CA SER A 108 12.401 0.366 -4.351 1.00 0.00 C ATOM 1678 C SER A 108 12.213 0.471 -5.862 1.00 0.00 C ATOM 1679 O SER A 108 11.672 -0.429 -6.500 1.00 0.00 O ATOM 1680 CB SER A 108 13.820 0.805 -3.986 1.00 0.00 C ATOM 1681 OG SER A 108 14.061 2.098 -4.523 1.00 0.00 O ATOM 0 H SER A 108 11.966 -1.678 -4.616 1.00 0.00 H new ATOM 0 HA SER A 108 11.679 1.020 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.942 0.819 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.546 0.094 -4.379 1.00 0.00 H new ATOM 0 HG SER A 108 14.961 2.394 -4.272 1.00 0.00 H new ATOM 1687 N PHE A 109 12.667 1.586 -6.428 1.00 0.00 N ATOM 1688 CA PHE A 109 12.554 1.815 -7.870 1.00 0.00 C ATOM 1689 C PHE A 109 13.906 1.605 -8.534 1.00 0.00 C ATOM 1690 O PHE A 109 14.180 2.155 -9.599 1.00 0.00 O ATOM 1691 CB PHE A 109 12.064 3.239 -8.148 1.00 0.00 C ATOM 1692 CG PHE A 109 11.806 3.392 -9.629 1.00 0.00 C ATOM 1693 CD1 PHE A 109 10.683 2.790 -10.205 1.00 0.00 C ATOM 1694 CD2 PHE A 109 12.692 4.129 -10.427 1.00 0.00 C ATOM 1695 CE1 PHE A 109 10.442 2.924 -11.579 1.00 0.00 C ATOM 1696 CE2 PHE A 109 12.452 4.263 -11.801 1.00 0.00 C ATOM 1697 CZ PHE A 109 11.327 3.659 -12.374 1.00 0.00 C ATOM 0 H PHE A 109 13.116 2.344 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 109 11.834 1.107 -8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.153 3.440 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.808 3.964 -7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.001 2.221 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 109 13.560 4.594 -9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 109 9.574 2.460 -12.023 1.00 0.00 H new ATOM 0 HE2 PHE A 109 13.134 4.831 -12.417 1.00 0.00 H new ATOM 0 HZ PHE A 109 11.142 3.761 -13.433 1.00 0.00 H new ATOM 1707 N SER A 110 14.751 0.798 -7.895 1.00 0.00 N ATOM 1708 CA SER A 110 16.087 0.507 -8.422 1.00 0.00 C ATOM 1709 C SER A 110 16.201 -0.966 -8.785 1.00 0.00 C ATOM 1710 O SER A 110 15.408 -1.790 -8.331 1.00 0.00 O ATOM 1711 CB SER A 110 17.152 0.870 -7.391 1.00 0.00 C ATOM 1712 OG SER A 110 17.183 2.284 -7.224 1.00 0.00 O ATOM 0 H SER A 110 14.537 0.334 -7.013 1.00 0.00 H new ATOM 0 HA SER A 110 16.243 1.106 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 110 16.934 0.385 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 110 18.128 0.509 -7.717 1.00 0.00 H new ATOM 0 HG SER A 110 17.865 2.520 -6.561 1.00 0.00 H new ATOM 1718 N ALA A 111 17.186 -1.289 -9.621 1.00 0.00 N ATOM 1719 CA ALA A 111 17.399 -2.670 -10.066 1.00 0.00 C ATOM 1720 C ALA A 111 18.672 -3.248 -9.435 1.00 0.00 C ATOM 1721 O ALA A 111 19.454 -2.522 -8.822 1.00 0.00 O ATOM 1722 CB ALA A 111 17.496 -2.705 -11.609 1.00 0.00 C ATOM 0 H ALA A 111 17.850 -0.616 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 111 16.555 -3.282 -9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.654 -3.731 -11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.571 -2.323 -12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 111 18.331 -2.085 -11.935 1.00 0.00 H new ATOM 1728 N PRO A 112 18.894 -4.533 -9.583 1.00 0.00 N ATOM 1729 CA PRO A 112 20.105 -5.210 -9.018 1.00 0.00 C ATOM 1730 C PRO A 112 21.405 -4.514 -9.426 1.00 0.00 C ATOM 1731 O PRO A 112 22.324 -4.373 -8.620 1.00 0.00 O ATOM 1732 CB PRO A 112 20.037 -6.633 -9.605 1.00 0.00 C ATOM 1733 CG PRO A 112 18.593 -6.853 -9.928 1.00 0.00 C ATOM 1734 CD PRO A 112 18.022 -5.484 -10.298 1.00 0.00 C ATOM 0 HA PRO A 112 20.108 -5.192 -7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 112 20.658 -6.722 -10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 112 20.398 -7.372 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 112 18.482 -7.556 -10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 112 18.064 -7.277 -9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 112 18.048 -5.318 -11.375 1.00 0.00 H new ATOM 0 HD3 PRO A 112 16.982 -5.386 -9.985 1.00 0.00 H new ATOM 1742 N ASP A 113 21.472 -4.085 -10.687 1.00 0.00 N ATOM 1743 CA ASP A 113 22.661 -3.405 -11.215 1.00 0.00 C ATOM 1744 C ASP A 113 22.346 -1.954 -11.566 1.00 0.00 C ATOM 1745 O ASP A 113 22.822 -1.430 -12.573 1.00 0.00 O ATOM 1746 CB ASP A 113 23.159 -4.138 -12.463 1.00 0.00 C ATOM 1747 CG ASP A 113 22.069 -4.158 -13.532 1.00 0.00 C ATOM 1748 OD1 ASP A 113 21.108 -3.421 -13.386 1.00 0.00 O ATOM 1749 OD2 ASP A 113 22.208 -4.917 -14.477 1.00 0.00 O ATOM 0 H ASP A 113 20.717 -4.195 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 113 23.435 -3.415 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 113 24.051 -3.646 -12.851 1.00 0.00 H new ATOM 0 HB3 ASP A 113 23.445 -5.158 -12.205 1.00 0.00 H new ATOM 1754 N ASP A 114 21.544 -1.309 -10.724 1.00 0.00 N ATOM 1755 CA ASP A 114 21.174 0.085 -10.952 1.00 0.00 C ATOM 1756 C ASP A 114 22.401 0.914 -11.318 1.00 0.00 C ATOM 1757 O ASP A 114 23.334 0.935 -10.531 1.00 0.00 O ATOM 1758 CB ASP A 114 20.528 0.659 -9.691 1.00 0.00 C ATOM 1759 CG ASP A 114 19.987 2.057 -9.975 1.00 0.00 C ATOM 1760 OD1 ASP A 114 19.078 2.166 -10.780 1.00 0.00 O ATOM 1761 OD2 ASP A 114 20.492 2.995 -9.383 1.00 0.00 O ATOM 0 H ASP A 114 21.141 -1.724 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 114 20.465 0.125 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.720 0.008 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 114 21.259 0.700 -8.884 1.00 0.00 H new